Cas no 52166-82-2 (1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,chloride (1:1))

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,chloride (1:1) structure
52166-82-2 structure
Product Name:1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,chloride (1:1)
CAS No:52166-82-2
MF:C12H16ClF13N2O2S
MW:534.764886856079
CID:375898
PubChem ID:104102
Update Time:2025-04-19

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,chloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,chloride (1:1)
    • trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium chloride
    • 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, chloride (1:1)
    • 1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, chloride
    • 3-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chloride
    • N,N,N-trimethyl-3-{[(tridecafluorohexyl)sulfonyl]amino}propan-1-aminium chloride
    • Trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium chloride
    • EINECS 257-698-7
    • DTXSID90880454
    • 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, chloride
    • Trimethyl-3-(perfluorohexyl)sulphonylaminopropylammonium chloride
    • 52166-82-2
    • RMPHRYCBGYJIDS-UHFFFAOYSA-M
    • NS00089999
    • Inchi: 1S/C12H16F13N2O2S.ClH/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;/h26H,4-6H2,1-3H3;1H/q+1;/p-1
    • InChI Key: RMPHRYCBGYJIDS-UHFFFAOYSA-M
    • SMILES: [Cl-].S(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(NCCC[N+](C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 517.9162
  • Monoisotopic Mass: 534.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 10
  • Complexity: 705
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.6?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 48.24

1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,chloride (1:1) Related Literature

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